2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol

C11H18BrNO2 — CID 104653909

IUPAC2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO2/c1-4-8(2)13-11(3,7-14)9-5-6-10(12)15-9/h5-6,8,13-14H,4,7H2,1-3H3
InChIKeyZDGTYBNXYYWKFE-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol

2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol (PubChem CID 104653909) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
PubChem CID104653909
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO2/c1-4-8(2)13-11(3,7-14)9-5-6-10(12)15-9/h5-6,8,13-14H,4,7H2,1-3H3
InChIKeyZDGTYBNXYYWKFE-UHFFFAOYSA-N
XLogP2.64
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
CID 61049008
2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
CID 104653916
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 104653920
2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
CID 113437691
2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61048813
2-(butan-2-ylamino)-2-pyridin-2-ylpropan-1-ol
CID 61049210
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 61048608
methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate
CID 104653955
2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
CID 83845206
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol (CID 104653909) is 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol is CCC(C)NC(C)(CO)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol?
The InChIKey is ZDGTYBNXYYWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-4-8(2)13-11(3,7-14)9-5-6-10(12)15-9/h5-6,8,13-14H,4,7H2,1-3H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol?
2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol has a molecular weight of 276.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol is sourced from PubChem (CID 104653909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).